3-(methanesulfonamido)-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide

C15H18N4O5S — CID 46469975

IUPAC3-(methanesulfonamido)-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide
SMILESCc1cc(NC(=O)CN(C)C(=O)c2cccc(NS(C)(=O)=O)c2)no1
InChIInChI=1S/C15H18N4O5S/c1-10-7-13(17-24-10)16-14(20)9-19(2)15(21)11-5-4-6-12(8-11)18-25(3,22)23/h4-8,18H,9H2,1-3H3,(H,16,17,20)
InChIKeyLIFLXHSMMJCLEN-UHFFFAOYSA-N
MW366.40 g/mol
LogP1.07
Rot. Bonds6

About 3-(methanesulfonamido)-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide

3-(methanesulfonamido)-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide (PubChem CID 46469975) has the molecular formula C15H18N4O5S and a molecular weight of 366.40 g/mol. Its IUPAC name is 3-(methanesulfonamido)-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name3-(methanesulfonamido)-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide
PubChem CID46469975
Molecular FormulaC15H18N4O5S
Molecular Weight366.40 g/mol
Exact Mass366.10
IUPAC Name3-(methanesulfonamido)-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide
SMILESCc1cc(NC(=O)CN(C)C(=O)c2cccc(NS(C)(=O)=O)c2)no1
InChIInChI=1S/C15H18N4O5S/c1-10-7-13(17-24-10)16-14(20)9-19(2)15(21)11-5-4-6-12(8-11)18-25(3,22)23/h4-8,18H,9H2,1-3H3,(H,16,17,20)
InChIKeyLIFLXHSMMJCLEN-UHFFFAOYSA-N
XLogP1.07
TPSA121.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(methanesulfonamido)-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide?
The IUPAC name of 3-(methanesulfonamido)-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide (CID 46469975) is 3-(methanesulfonamido)-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide.
What is the SMILES notation for 3-(methanesulfonamido)-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide?
The canonical SMILES for 3-(methanesulfonamido)-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide is Cc1cc(NC(=O)CN(C)C(=O)c2cccc(NS(C)(=O)=O)c2)no1.
What is the InChIKey of 3-(methanesulfonamido)-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide?
The InChIKey is LIFLXHSMMJCLEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O5S/c1-10-7-13(17-24-10)16-14(20)9-19(2)15(21)11-5-4-6-12(8-11)18-25(3,22)23/h4-8,18H,9H2,1-3H3,(H,16,17,20).
What are the key properties of 3-(methanesulfonamido)-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide?
3-(methanesulfonamido)-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide has a molecular weight of 366.40 g/mol, XLogP of 1.07, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methanesulfonamido)-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 46469975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).